CID 300382

2-mesitylacetaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1=CC(=C(C(=C1)C)CC=O)C

InChI

InChI=1S/C11H14O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h5-7H,4H2,1-3H3

InChIKey

HXMXUWHNVNPJRR-UHFFFAOYSA-N

Compound name

2-(2,4,6-trimethylphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 162.10446 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.11174	134.2
[M+Na]+	185.09368	148.7
[M+NH4]+	180.13828	143.4
[M+K]+	201.06762	141.1
[M-H]-	161.09718	137.1
[M+Na-2H]-	183.07913	141.5
[M]+	162.10391	137.2
[M]-	162.10501	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe